Geometry & MOs

Info

ID:	383153
PubChem CID:	134974717
Reduced:	PN3H36C48 (1)
Stoich.:	AB3C36D48 (1)
Weight, g/mol:	318.183109
ΔH_f, kcal/mol:	261.63
Dipole, Da:	5.66
IP(EA), eV:	-7.44(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5R)-5-[(4-methoxyphenyl)methoxy]hex-2-ynoxy]oxane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC2=CN(C(=N2)N=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations